SCHEMBL4540373

SCHEMBL4540373

OC1(CC(OCc2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
OPRL1 P41146 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 1/20 0.37
CACNA2D1 P54289 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4984849 0.80 CHRM2 (0.39) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL1671300 0.77 SLC1A3 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL4685651 0.77 SLC6A2 (0.34) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4543657 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL4466281 0.74 FFAR1 (0.53) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL5418286 0.72 CHRNB2 (0.53) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL14945152 0.72 CHRNB2 (0.53) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL4361544 0.71 LMNA (0.45) SLC6A2SLC6A3CYP1A2CYP2C19KMT2A
SCHEMBL14697067 0.71 TSHR (0.48) SLC6A2SLC6A4SLC6A3OPRM1CHRM2
SCHEMBL27427478 0.70 CHRNB2 (0.48) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO claimed
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO disclosed